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{
"id": "jvasp-15047",
"created_at": "2022-09-04T14:36:38.205689Z",
"updated_at": "2022-09-04T14:36:38.205709Z",
"structure_string": "Cd1 Au1\n1.0\n3.383082 0.000000 -0.000000\n-0.000000 3.383082 -0.000000\n0.000000 0.000000 3.383082\nCd Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Au\n",
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"formula_full": "Cd1 Au1",
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{
"id": "jvasp-105136",
"created_at": "2022-09-04T14:36:55.080474Z",
"updated_at": "2022-09-04T14:36:55.080514Z",
"structure_string": "Cd1 Au3\n1.0\n3.796989 -0.072340 -3.472545\n-0.785136 3.715632 -3.472545\n0.059802 0.072340 5.145106\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500001 Au\n0.249999 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
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{
"id": "jvasp-19648",
"created_at": "2022-09-04T14:38:29.989301Z",
"updated_at": "2022-09-04T14:38:29.989328Z",
"structure_string": "Cd1 Au3\n1.0\n4.195971 0.000000 -0.000000\n0.000000 4.195971 -0.000000\n-0.000000 0.000000 4.194333\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
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"volume": 73.84615087762191,
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"formula_full": "Cd1 Au3",
"formula_reduced": "CdAu3",
"formula_anonymous": "AB3",
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},
{
"id": "jvasp-75607",
"created_at": "2022-09-04T14:36:13.338493Z",
"updated_at": "2022-09-04T14:36:13.338509Z",
"structure_string": "Cd1 B2 As1\n1.0\n-0.000000 3.132246 3.132246\n3.132246 -0.000000 3.132246\n3.132246 3.132246 -0.000000\nCd B As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Cd\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 B\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
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"elements": [
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"As"
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"chemical_system": "As-B-Cd",
"density": 5.6455134732323815,
"density_atomic": 0.06508222706756568,
"volume": 61.46071178307044,
"volume_molar": 9.253126439186019,
"formula_full": "Cd1 B2 As1",
"formula_reduced": "CdB2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.771089166666667,
"spacegroup": 216
},
{
"id": "jvasp-109933",
"created_at": "2022-09-04T14:38:00.324173Z",
"updated_at": "2022-09-04T14:38:00.324200Z",
"structure_string": "Cd1 Bi3\n1.0\n4.591834 0.078345 -3.848678\n-0.950973 4.492964 -3.848678\n-0.062399 -0.078345 5.991107\nCd Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 Bi\n0.250000 0.749999 0.499999 Bi\n0.500000 0.500000 -0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Bi"
],
"chemical_system": "Bi-Cd",
"density": 10.119953575862253,
"density_atomic": 0.03297144983923423,
"volume": 121.31707945824746,
"volume_molar": 18.26471322724177,
"formula_full": "Cd1 Bi3",
"formula_reduced": "CdBi3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-102922",
"created_at": "2022-09-04T14:36:42.028605Z",
"updated_at": "2022-09-04T14:36:42.028620Z",
"structure_string": "Cd1 Bi3\n1.0\n4.955130 -0.000000 0.000000\n0.000000 4.955130 -0.000000\n-0.000000 -0.000000 4.955130\nCd Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.091025608956535,
"density_atomic": 0.03287720069049724,
"volume": 121.66485941597067,
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"formula_full": "Cd1 Bi3",
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"spacegroup": 221
},
{
"id": "jvasp-22646",
"created_at": "2022-09-04T14:38:07.941510Z",
"updated_at": "2022-09-04T14:38:07.941539Z",
"structure_string": "Cd1 Br2\n1.0\n3.828856 -0.007179 5.501979\n1.720762 3.420406 5.501979\n-0.011673 -0.007179 6.703116\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750337 0.750337 0.750336 Br\n0.249664 0.249664 0.249663 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
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"density": 5.126696865816678,
"density_atomic": 0.03402446945709318,
"volume": 88.17183773528558,
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"formula_full": "Cd1 Br2",
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"spacegroup": 166
},
{
"id": "jvasp-92631",
"created_at": "2022-09-04T14:36:31.106617Z",
"updated_at": "2022-09-04T14:36:31.106642Z",
"structure_string": "Cd1 Br2 N2\n1.0\n0.000000 0.000000 -3.901141\n-3.791738 -4.073470 0.000000\n-3.791738 4.073470 0.000000\nCd Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.748907 0.748907 Br\n0.500000 0.251094 0.251094 Br\n0.000000 0.301270 0.698731 N\n0.000000 0.698731 0.301270 N\n",
"nsites": 5,
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"elements": [
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"Br",
"N"
],
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"density": 4.136968071818059,
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"volume": 120.51038843042915,
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"formula_full": "Cd1 Br2 N2",
"formula_reduced": "Cd(BrN)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 65
},
{
"id": "jvasp-36114",
"created_at": "2022-09-04T14:37:33.891696Z",
"updated_at": "2022-09-04T14:37:33.891742Z",
"structure_string": "Cd1 C1\n1.0\n2.422723 2.422723 0.000000\n2.422723 0.000000 -2.422723\n-0.000000 2.422723 -2.422723\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 C\n",
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"elements": [
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"density": 7.264470188306181,
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"volume": 28.44076556544569,
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"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy_above_hull": 2.323594875,
"spacegroup": 225
},
{
"id": "jvasp-36110",
"created_at": "2022-09-04T14:37:32.563863Z",
"updated_at": "2022-09-04T14:37:32.563892Z",
"structure_string": "Cd1 C1\n1.0\n2.582942 2.582942 -0.000000\n2.582942 0.000000 -2.582942\n0.000000 2.582942 -2.582942\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 C\n",
"nsites": 2,
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"density": 5.994752674579191,
"density_atomic": 0.05803046323941592,
"volume": 34.46465680876288,
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"spacegroup": 216
},
{
"id": "jvasp-120924",
"created_at": "2022-09-04T14:38:53.366210Z",
"updated_at": "2022-09-04T14:38:53.366229Z",
"structure_string": "Cd1 C1 N1\n1.0\n3.907731 0.000000 -0.000000\n-1.953865 3.384194 0.000000\n-0.000000 -0.000000 3.243200\nCd C N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 N\n",
"nsites": 3,
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"density": 5.3594553115646315,
"density_atomic": 0.06994676156263936,
"volume": 42.88976262772956,
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"spacegroup": 187
},
{
"id": "jvasp-120925",
"created_at": "2022-09-04T14:38:49.724629Z",
"updated_at": "2022-09-04T14:38:49.724663Z",
"structure_string": "Cd1 C1 N2\n1.0\n2.931557 0.000000 0.000000\n0.000000 2.931557 0.000000\n0.000000 0.000000 5.183259\nCd C N\n1 1 2\ndirect\n0.500001 0.500001 0.434446 Cd\n0.000000 0.000000 0.897628 C\n0.000000 0.000000 0.657925 N\n0.500001 0.500001 0.020001 N\n",
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}